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COHSEX print

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This commit is contained in:
Pierre-Francois Loos 2019-07-15 14:22:32 +02:00
parent 60636580b9
commit 9793c23357
3 changed files with 15 additions and 0 deletions
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5
src/QuAcK/G0W0.f90
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@ -55,6 +55,11 @@ subroutine G0W0(COHSEX,SOSEX,BSE,TDA,singlet_manifold,triplet_manifold, &
if(SOSEX) write(*,*) 'SOSEX correction activated!'
write(*,*)
! COHSEX approximation
if(COHSEX) write(*,*) 'COHSEX approximation activated!'
write(*,*)
! Switch off exchange for G0W0
dRPA = .true.

5
src/QuAcK/evGW.f90
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@ -68,6 +68,11 @@ subroutine evGW(maxSCF,thresh,max_diis,COHSEX,SOSEX,BSE,TDA,G0W,GW0,singlet_mani
if(SOSEX) write(*,*) 'SOSEX correction activated!'
write(*,*)
! COHSEX approximation
if(COHSEX) write(*,*) 'COHSEX approximation activated!'
write(*,*)
! Switch off exchange for G0W0
dRPA = .true.

5
src/QuAcK/qsGW.f90
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@ -83,6 +83,11 @@ subroutine qsGW(maxSCF,thresh,max_diis,COHSEX,SOSEX,BSE,TDA,G0W,GW0,singlet_mani
if(SOSEX) write(*,*) 'SOSEX correction activated!'
write(*,*)
! COHSEX approximation
if(COHSEX) write(*,*) 'COHSEX approximation activated!'
write(*,*)
! Switch off exchange for G0W0
dRPA = .true.